1-(2-amino-5-nitrophenoxy)ethanol

C8H10N2O4 — CID 70496099

IUPAC1-(2-amino-5-nitrophenoxy)ethanol
SMILESCC(O)Oc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C8H10N2O4/c1-5(11)14-8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3
InChIKeyIYSPAQIHGKMIQJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-amino-5-nitrophenoxy)ethanol

1-(2-amino-5-nitrophenoxy)ethanol (PubChem CID 70496099) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenoxy)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenoxy)ethanol
PubChem CID70496099
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(2-amino-5-nitrophenoxy)ethanol
SMILESCC(O)Oc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C8H10N2O4/c1-5(11)14-8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3
InChIKeyIYSPAQIHGKMIQJ-UHFFFAOYSA-N
XLogP0.89
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-nitrophenoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxyethoxy)-5-nitrophenol
CID 67929742
3-(1-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 67901547
4-nitro-2-(1-pyridin-3-ylethoxy)aniline
CID 82037809
(2-amino-5-nitrophenyl) formate
CID 174961897
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
aniline;2-methoxy-4-nitroaniline
CID 154966148
1-(2-amino-5-nitrophenyl)sulfonylethanol
CID 67948143
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
1-(6-amino-2-methyl-3-nitrophenoxy)ethanol
CID 121417043
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]butan-2-ol
CID 104890180
2-(1-methylcyclohexyl)oxy-4-nitroaniline
CID 68584878

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenoxy)ethanol?
The IUPAC name of 1-(2-amino-5-nitrophenoxy)ethanol (CID 70496099) is 1-(2-amino-5-nitrophenoxy)ethanol.
What is the SMILES notation for 1-(2-amino-5-nitrophenoxy)ethanol?
The canonical SMILES for 1-(2-amino-5-nitrophenoxy)ethanol is CC(O)Oc1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 1-(2-amino-5-nitrophenoxy)ethanol?
The InChIKey is IYSPAQIHGKMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)14-8-4-6(10(12)13)2-3-7(8)9/h2-5,11H,9H2,1H3.
What are the key properties of 1-(2-amino-5-nitrophenoxy)ethanol?
1-(2-amino-5-nitrophenoxy)ethanol has a molecular weight of 198.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenoxy)ethanol is sourced from PubChem (CID 70496099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).